4-cyclohex-3-en-1-yl-8-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

Systemtic Name: 4-cyclohex-3-en-1-yl-8-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one Openeye Name: 4-cyclohex-3-en-1-yl-8-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one CAS Name: 4-(1-cyclohex-3-enyl)-8-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one IUPAC Name: 4-cyclohex-3-en-1-yl-8-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one Traditional Name: 4-cyclohex-3-en-1-yl-8-methyl-2-[4-(2-pyrimidyl)piperazino]-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one Formula: C21H26N8O MolecularWeight: 406.48414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(N=C(N=C2N1)N3CCN(CC3)C4=NC=CC=N4)C5CCC=CC5

Isomeric SMILES

CC1=CC(=O)N2C(N=C(N=C2N1)N3CCN(CC3)C4=NC=CC=N4)C5CCC=CC5

InChI

InChI=1S/C21H26N8O/c1-15-14-17(30)29-18(16-6-3-2-4-7-16)25-20(26-21(29)24-15)28-12-10-27(11-13-28)19-22-8-5-9-23-19/h2-3,5,8-9,14,16,18H,4,6-7,10-13H2,1H3,(H,24,25,26)